CID 2748328

34576-85-7

Structural Information

Molecular Formula

C₉H₃Cl₃OS

SMILES

C1=CC2=C(C=C1Cl)SC(=C2Cl)C(=O)Cl

InChI

InChI=1S/C9H3Cl3OS/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3H

InChIKey

JCTLRFNZVZCAHR-UHFFFAOYSA-N

Compound name

3,6-dichloro-1-benzothiophene-2-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 263.89703 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	264.90431	152.4
[M+Na]+	286.88625	168.2
[M+NH4]+	281.93085	162.8
[M+K]+	302.86019	159.0
[M-H]-	262.88975	155.0
[M+Na-2H]-	284.87170	158.6
[M]+	263.89648	156.9
[M]-	263.89758	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe